1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

C17H19N5OS2 — CID 10237271

IUPAC1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNc1ncnc2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C17H19N5OS2/c1-11-3-5-12(6-4-11)14-9-13-15(25-14)16(20-10-19-13)21-22-17(24)18-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,24)(H,19,20,21)
InChIKeyRHULZYABMJXKTM-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (PubChem CID 10237271) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
PubChem CID10237271
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC Name1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNc1ncnc2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C17H19N5OS2/c1-11-3-5-12(6-4-11)14-9-13-15(25-14)16(20-10-19-13)21-22-17(24)18-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,24)(H,19,20,21)
InChIKeyRHULZYABMJXKTM-UHFFFAOYSA-N
XLogP3.10
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N4-[3-(dimethylamino)propyl]-N2-methyl-6-(4-morpholinophenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 76328817
1-[[6-(4-Fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propan-2-ol
CID 16311815
1-[2-[[2-(2-Methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
CID 49789285
2-N-benzyl-4-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 49795120
2-N-methyl-4-N-(3-morpholin-4-ylpropyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 122190177
2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 122190178
N',N'-dimethyl-N-[6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]propane-1,3-diamine
CID 122190192
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 46942544
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 17435234
(4-Isopropylbenzyl)-[2-(2-methoxyethylamino)thieno[3,2-d]pyrimidin-4-yl]amine
CID 46943004
4-N-(cyclohexylmethyl)-2-N-(2-methoxyethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine
CID 46944207
N-[4-[[[2-(2-methoxyethylamino)-6-phenylthieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 46948008

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (CID 10237271) is 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is COCCNC(=S)NNc1ncnc2cc(-c3ccc(C)cc3)sc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The InChIKey is RHULZYABMJXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-11-3-5-12(6-4-11)14-9-13-15(25-14)16(20-10-19-13)21-22-17(24)18-7-8-23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,18,22,24)(H,19,20,21).
What are the key properties of 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea has a molecular weight of 373.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[[6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is sourced from PubChem (CID 10237271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).